[1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol

C21H32N6O — CID 25378707

IUPAC[1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESCCn1cc(CN[C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)c(C)n1
InChIInChI=1S/C21H32N6O/c1-3-27-13-17(15(2)25-27)11-22-19-5-4-6-20-18(19)12-23-21(24-20)26-9-7-16(14-28)8-10-26/h12-13,16,19,22,28H,3-11,14H2,1-2H3/t19-/m1/s1
InChIKeyZXURGVPSVOMBNA-LJQANCHMSA-N
MW384.53 g/mol
LogP2.38
Rot. Bonds6

About [1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol

[1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (PubChem CID 25378707) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is [1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
PubChem CID25378707
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name[1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESCCn1cc(CN[C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)c(C)n1
InChIInChI=1S/C21H32N6O/c1-3-27-13-17(15(2)25-27)11-22-19-5-4-6-20-18(19)12-23-21(24-20)26-9-7-16(14-28)8-10-26/h12-13,16,19,22,28H,3-11,14H2,1-2H3/t19-/m1/s1
InChIKeyZXURGVPSVOMBNA-LJQANCHMSA-N
XLogP2.38
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

[1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25283348
[1-[(5S)-5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25479898
[1-(5-Amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol
CID 70778972
(5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 97132416
1-[[1-(2-Fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea
CID 138022798
[1-[2-[[[4-(1-Methylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]phenyl]piperidin-4-yl]methanol
CID 31043777
N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinamine
CID 45181809
(1-{5-[(1-Isopropyl-4-piperidinyl)amino]-5,6,7,8-tetrahydro-2-quinazolinyl}-4-piperidinyl)methanol
CID 45192726
1-(5-{[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]amino}-7,7-dimethyl-5,6,7,8-tetrahydro-2-quinazolinyl)-4-piperidinol
CID 45194274
7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 45195628
{1-[5-(Cyclobutylamino)-5,6,7,8-tetrahydro-2-quinazolinyl]-4-piperidinyl}methanol
CID 45196307
[1-(5-{[(2-Ethyl-5-pyrimidinyl)methyl]amino}-5,6,7,8-tetrahydro-2-quinazolinyl)-4-piperidinyl]methanol
CID 45204656

Frequently Asked Questions

What is the IUPAC name of [1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (CID 25378707) is [1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is CCn1cc(CN[C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)c(C)n1.
What is the InChIKey of [1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The InChIKey is ZXURGVPSVOMBNA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H32N6O/c1-3-27-13-17(15(2)25-27)11-22-19-5-4-6-20-18(19)12-23-21(24-20)26-9-7-16(14-28)8-10-26/h12-13,16,19,22,28H,3-11,14H2,1-2H3/t19-/m1/s1.
What are the key properties of [1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
[1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol has a molecular weight of 384.53 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 25378707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).